Information card for entry 7104369

Structure parameters

• Formula: C36 H37 B F15 P
• Calculated formula: C36 H37 B F15 P
• SMILES: C(/C(=C(\C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C)C)[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: 1,4-Addition reactions of frustrated Lewis pairs to 1,3-dienes.
• Authors of publication: Ullrich, Matthias; Seto, Kelvin S-H; Lough, Alan J; Stephan, Douglas W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 2335 - 2337
• a: 14.235 ± 0.0006 Å
• b: 17.4496 ± 0.0009 Å
• c: 14.771 ± 0.0005 Å
• α: 90°
• β: 95.096 ± 0.003°
• γ: 90°
• Cell volume: 3654.5 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No